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Dear All,
I initially got a 3.0 A dataset that I used for MR and refinement. Some months later I got better diffracting crystals and refined the structure with a new dataset at 2.6 A (for this, I preserved the original Rfree set).
Even though I knew I was in a reasonable resolution limit already, I was curious and I processed the data to 1.8 A and used it for refinement (again, I preserved the original Rfree set). I was surprised to see that despite the worst numbers, the maps look better (pictures and some numbers attached).
2.6 A dataset:
Rmeas: 0.167 (0.736)
I/sigma: 9.2 (2.2)
CC(1/2): 0.991 (0.718)
Completeness (%): 99.6 (99.7)
1.8 A dataset:
Resolution: 1.8 A
Rmeas: 0.247 (2.707)
I/sigma: 5.6 (0.3)
CC(1/2): 0.987 (-0.015)
Completeness (%): 66.7 (9.5)
I was expecting worst maps with the 1.8 A dataset...any explanations would be very appreciated.
Thank you,
Talis